2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(6-oxidanylhexyl)benzamide

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(6-oxidanylhexyl)benzamide Openeye Name: 2-[bis(2-chloroethyl)amino]-N-(6-hydroxyhexyl)-3,5-dinitro-benzamide CAS Name: 2-[bis(2-chloroethyl)amino]-N-(6-hydroxyhexyl)-3,5-dinitrobenzamide IUPAC Name: 2-[bis(2-chloroethyl)amino]-N-(6-hydroxyhexyl)-3,5-dinitrobenzamide Traditional Name: 2-[bis(2-chloroethyl)amino]-N-(6-hydroxyhexyl)-3,5-dinitro-benzamide Formula: C17H24Cl2N4O6 MolecularWeight: 451.30166

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCCl)CCCl)C(=O)NCCCCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCCl)CCCl)C(=O)NCCCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H24Cl2N4O6/c18-5-8-21(9-6-19)16-14(17(25)20-7-3-1-2-4-10-24)11-13(22(26)27)12-15(16)23(28)29/h11-12,24H,1-10H2,(H,20,25)